[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H25N3O3/c1-14-8-10-16(11-9-14)22-19(24)13-26-20(25)18-12-21-23(15(18)2)17-6-4-3-5-7-17/h3-7,12,14,16H,8-11,13H2,1-2H3,(H,22,24)